000032788 001__ 32788
000032788 005__ 20210121114541.0
000032788 0247_ $$2doi$$a10.1093/nar/gkv690
000032788 0248_ $$2sideral$$a91969
000032788 037__ $$aART-2015-91969
000032788 041__ $$aeng
000032788 100__ $$0(orcid)0000-0002-6568-4138$$aBergues-Pupo, A.
000032788 245__ $$aRole of the central cations in the mechanical unfolding of DNA and RNA G-quadruplexes
000032788 260__ $$c2015
000032788 5060_ $$aAccess copy available to the general public$$fUnrestricted
000032788 5203_ $$aCations are known to mediate diverse interactions in nucleic acids duplexes but they are critical in the arrangement of four-stranded structures. Here, we use all-atom molecular dynamics simulations with explicit solvent to analyse the mechanical unfolding of representative intramolecular G-quadruplex structures: a parallel, a hybrid and an antiparallel DNA and a parallel RNA, in the presence of stabilising cations. We confirm the stability of these conformations in the presence of K+ central ions and observe distortions from the tetrad topology in their absence. Force-induced unfolding dynamics is then investigated. We show that the unfolding events in the force-extension curves are concomitant to the loss of coordination between the central ions and the guanines of the G-quadruplex. We found lower ruptures forces for the parallel configuration with respect to the antiparallel one, while the behaviour of the force pattern of the parallel RNA appears similar to the parallel DNA. We anticipate that our results will be essential to interpret the fine structure rupture profiles in stretching assays at high resolution and will shed light on the mechanochemical activity of G-quadruplex-binding machinery.
000032788 536__ $$9info:eu-repo/grantAgreement/ES/MINECO/MAT2013-49455-EXP$$9info:eu-repo/grantAgreement/ES/MINECO/FIS2014-55867-P$$9info:eu-repo/grantAgreement/ES/MINECO/FIS2011-25167$$9info:eu-repo/grantAgreement/ES/DGA/E19
000032788 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000032788 590__ $$a9.202$$b2015
000032788 591__ $$aBIOCHEMISTRY & MOLECULAR BIOLOGY$$b18 / 289 = 0.062$$c2015$$dQ1$$eT1
000032788 592__ $$a7.358$$b2015
000032788 593__ $$aGenetics$$c2015$$dQ1
000032788 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000032788 700__ $$aArias-Gonzalez, J.
000032788 700__ $$0(orcid)0000-0001-5775-483X$$aMorón, M.C.$$uUniversidad de Zaragoza
000032788 700__ $$0(orcid)0000-0001-6859-099X$$aFiasconaro, A.$$uUniversidad de Zaragoza
000032788 700__ $$0(orcid)0000-0002-9551-624X$$aFalo, F.$$uUniversidad de Zaragoza
000032788 7102_ $$12003$$2395$$aUniversidad de Zaragoza$$bDpto. Física Materia Condensa.$$cÁrea Física Materia Condensada
000032788 773__ $$g43, 15 (2015), 7638-7647$$pNucleic acids res.$$tNucleic Acids Research$$x0305-1048
000032788 8564_ $$s4076923$$uhttps://zaguan.unizar.es/record/32788/files/texto_completo.pdf$$yVersión publicada
000032788 8564_ $$s144092$$uhttps://zaguan.unizar.es/record/32788/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000032788 909CO $$ooai:zaguan.unizar.es:32788$$particulos$$pdriver
000032788 951__ $$a2021-01-21-11:16:13
000032788 980__ $$aARTICLE